SCHEMBL7029799

SCHEMBL7029799

CC(=O)NC[C@H]1CN(c2ccc(N3CCOC3=O)cc2F)CO1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.64
▸ MAOB P27338 6/20 0.64
▸ PTGS1 P23219 2/20 0.64
▸ SDHA P31040 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ CALML3 P27482 1/20 0.64
▸ F10 P00742 9/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5389422 0.87 MAOA (0.74) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5388260 0.85 MAOA (0.77) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7031366 0.83 MAOB (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL2830090 0.82 MAOB (0.71) MAOAMAOBPTGS1SDHALMNA
SCHEMBL15472878 0.82 MAOB (0.71) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7030469 0.82 MAOB (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5400036 0.79 MAOA (0.73) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6616009 0.78 MAOB (0.89) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6616003 0.78 MAOB (0.89) MAOAMAOBPTGS1SDHALMNA
Linezolid SCHEMBL374752 0.78 MAOB (1.00) MAOAMAOBPTGS1SDHALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION 2003-04-03 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX MAOA 460/4885MAOB 364/4885PTGS1 2106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback